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[4-(methylamino)-2-(methylsulfanyl)pyrimidin-5-yl]methanol

[4-(methylamino)-2-(methylsulfanyl)pyrimidin-5-yl]methanol

CAS: 17759-30-7

Formula: C7H11N3OS

SMILES: CNC1=C(CO)C=NC(SC)=N1

IUPAC: [4-(methylamino)-2-(methylsulfanyl)pyrimidin-5-yl]methanol

InChI: InChI=1S/C7H11N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2/h3,11H,4H2,1-2H3,(H,8,9,10)

Composition: C (45.39%), H (5.99%), N (22.68%), O (8.64%), S (17.31%)

Molar Mass: 185.25

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.06228316
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NXNGLEYSIAXGCL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.75
Topological Polar Surface Area 58.04
Polarizability 18.91
Ring Count 1
Rotatable Bond Count 3

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